CID 3047723

61380-07-2

Structural Information

Molecular Formula

C₇H₁₀O₃S₂

SMILES

CS(=O)(=O)OCCC1=CC=CS1

InChI

InChI=1S/C7H10O3S2/c1-12(8,9)10-5-4-7-3-2-6-11-7/h2-3,6H,4-5H2,1H3

InChIKey

VUMFRFIVUQTAPJ-UHFFFAOYSA-N

Compound name

2-thiophen-2-ylethyl methanesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 188
Patents: 206.00714 Da
Monoisotopic Mass: 1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	207.01442	143.5
[M+Na]+	228.99636	152.8
[M-H]-	204.99986	147.5
[M+NH4]+	224.04096	164.9
[M+K]+	244.97030	149.9
[M+H-H2O]+	189.00440	138.6
[M+HCOO]-	251.00534	158.0
[M+CH3COO]-	265.02099	178.9
[M+Na-2H]-	226.98181	145.3
[M]+	206.00659	148.9
[M]-	206.00769	148.9

Literature stripe

literature stripe

Patent stripe

patents stripe